ethane;propane;N-propan-2-ylidenebenzamide

C15H25NO — CID 91020892

IUPACethane;propane;N-propan-2-ylidenebenzamide
SMILESCC.CC(C)=NC(=O)c1ccccc1.CCC
InChIInChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)11-10(12)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJOTMATQQJAFAHY-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.75
Rot. Bonds1

About ethane;propane;N-propan-2-ylidenebenzamide

ethane;propane;N-propan-2-ylidenebenzamide (PubChem CID 91020892) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;propane;N-propan-2-ylidenebenzamide.

Molecular Properties

Compound Nameethane;propane;N-propan-2-ylidenebenzamide
PubChem CID91020892
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;propane;N-propan-2-ylidenebenzamide
SMILESCC.CC(C)=NC(=O)c1ccccc1.CCC
InChIInChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)11-10(12)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJOTMATQQJAFAHY-UHFFFAOYSA-N
XLogP4.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289
ethyl N'-benzoylcarbamimidothioate
CID 16764605
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
methyl N-benzoylbenzenecarboximidothioate
CID 134892296
ethane;1-phenylethanone;propan-2-one
CID 91456675
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
N-(methyliminomethylidene)benzamide
CID 131864232
N-benzhydrylidene-4-benzoylbenzamide
CID 4145646
N-[(benzhydrylideneamino)-phenylmethylidene]benzamide
CID 14949427
benzoyl isothiocyanate;ethane
CID 90887579

Frequently Asked Questions

What is the IUPAC name of ethane;propane;N-propan-2-ylidenebenzamide?
The IUPAC name of ethane;propane;N-propan-2-ylidenebenzamide (CID 91020892) is ethane;propane;N-propan-2-ylidenebenzamide.
What is the SMILES notation for ethane;propane;N-propan-2-ylidenebenzamide?
The canonical SMILES for ethane;propane;N-propan-2-ylidenebenzamide is CC.CC(C)=NC(=O)c1ccccc1.CCC.
What is the InChIKey of ethane;propane;N-propan-2-ylidenebenzamide?
The InChIKey is JOTMATQQJAFAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C3H8.C2H6/c1-8(2)11-10(12)9-6-4-3-5-7-9;1-3-2;1-2/h3-7H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;N-propan-2-ylidenebenzamide?
ethane;propane;N-propan-2-ylidenebenzamide has a molecular weight of 235.37 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;N-propan-2-ylidenebenzamide is sourced from PubChem (CID 91020892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).